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Molecule
5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridin-2-Amine
CAS: 827614-64-2 · C11H17BN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 827614-64-2
- Molecular Formula
- C11H17BN2O2
- Molecular Mass
- 220.08 g/mol
Identifiers
CAS Registry Number
827614-64-2
SMILES
CC1(C)OB(c2ccc(=N)[nH]c2)OC1(C)C
InChI Key
YFTAUNOLAHRUIE-UHFFFAOYSA-N
InChI
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14)
Names and Synonyms
- 5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridin-2-Amine Synonym
- 2-Pyridinamine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Synonym
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine Synonym
- 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine Synonym
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine Synonym
- [5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl]amine Synonym
- (2-Aminopyridin-5-yl)boronic acid pinacol ester Synonym
- 2-(6-Aminopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Synonym
- 2-Aminopyridine-5-boronic acid pinacol ester Synonym
- 6-Aminopyridin-3-ylboronic acid pinacol ester Synonym
- 5-(3,3,4,4-Tetramethylborolan-1-yl)pyridin-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.08 g/mol | CAS Common Chemistry |
| 220.081 g/mol | RDKit | |
| 220.138308184 g/mol | RDKit | |
| Canonical SMILES | N=1C=C(C=CC1N)B2OC(C)(C)C(O2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=YFTAUNOLAHRUIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.099999999999994 Ų | RDKit |
| 58.1 Ų | RDKit | |
| LogP | 0.7933699999999994 | RDKit |
| 0.7934 | RDKit | |
| Molar Refractivity | 62.363400000000034 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5455 | RDKit |
| 0.55 | chempirical lib | |
| Exact Mass | 220.079 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 220.08 g/mol. Edit any field — others recompute live.
